SCHEMBL6037573

SCHEMBL6037573

Cc1ccc(NC(=O)c2ccc3ccccc3n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.77
SMN1; SMN2 Q16637 10/20 0.77
NFKB1 P19838 6/20 0.77
NFKB2 Q00653 6/20 0.77
RELA Q04206 6/20 0.77
NPC1 O15118 11/20 0.67
MAPT P10636 6/20 0.67
TP53 P04637 3/20 0.67
HCRTR1 O43613 1/20 0.67
HTT P42858 1/20 0.64
POLB P06746 3/20 0.63
HPGD P15428 1/20 0.63
ALDH1A1 P00352 4/20 0.63
MAPK1 P28482 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
RECQL P46063 1/20 0.60
GFER P55789 1/20 0.60
HDAC8 Q9BY41 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1131467 0.87 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL28310352 0.86 RAB9A (0.79) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL31306404 0.85 GFER (0.64) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL31295460 0.85 GFER (0.58) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL7570608 0.85 RAB9A (0.77) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL6037569 0.85 RAB9A (0.77) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL26373245 0.84 SMN1; SMN2 (0.70) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL12258528 0.84 SMN1; SMN2 (0.80) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL21446873 0.83 RAB9A (0.69) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL21446750 0.82 RAB9A (0.73) RAB9ASMN1; SMN2NFKB1NFKB2RELA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
CN-104447539-B A kind of two grades, the synthetic method of three-level aromatic amides 湖南大学 2017-09-15 CN disclosed
CN-104447539-A Method for synthesizing binary and ternary aryl amide compounds UNIV HUNAN 2015-03-25 CN disclosed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM RAB9A 1779/4885SMN1; SMN2 3410/4885NFKB1 411/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM RAB9A 1779/4885SMN1; SMN2 3410/4885NFKB1 411/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.